3-bromanyl-4-pentoxy-benzoic acid

Systemtic Name: 3-bromanyl-4-pentoxy-benzoic acid Openeye Name: 3-bromo-4-pentoxy-benzoic acid CAS Name: 3-bromo-4-pentoxybenzoic acid IUPAC Name: 3-bromo-4-pentoxybenzoic acid Traditional Name: 4-amoxy-3-bromo-benzoic acid Formula: C12H15BrO3 MolecularWeight: 287.1497

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C(=O)O)Br

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C(=O)O)Br

InChI

InChI=1S/C12H15BrO3/c1-2-3-4-7-16-11-6-5-9(12(14)15)8-10(11)13/h5-6,8H,2-4,7H2,1H3,(H,14,15)